N-[[2-(4-ethylsulfanylphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine

C15H21N3S — CID 106849877

IUPACN-[[2-(4-ethylsulfanylphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCCSc1ccc(-c2ncc(CNC(C)C)[nH]2)cc1
InChIInChI=1S/C15H21N3S/c1-4-19-14-7-5-12(6-8-14)15-17-10-13(18-15)9-16-11(2)3/h5-8,10-11,16H,4,9H2,1-3H3,(H,17,18)
InChIKeyHFNOXCCVDZRPJJ-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.69
Rot. Bonds6

About N-[[2-(4-ethylsulfanylphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine

N-[[2-(4-ethylsulfanylphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine (PubChem CID 106849877) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is N-[[2-(4-ethylsulfanylphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-ethylsulfanylphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
PubChem CID106849877
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC NameN-[[2-(4-ethylsulfanylphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
SMILESCCSc1ccc(-c2ncc(CNC(C)C)[nH]2)cc1
InChIInChI=1S/C15H21N3S/c1-4-19-14-7-5-12(6-8-14)15-17-10-13(18-15)9-16-11(2)3/h5-8,10-11,16H,4,9H2,1-3H3,(H,17,18)
InChIKeyHFNOXCCVDZRPJJ-UHFFFAOYSA-N
XLogP3.69
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-fluorophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109262
N-[[2-(4-ethylsulfanylphenyl)-1H-imidazol-5-yl]methyl]propan-1-amine
CID 106849875
N-[[2-(4-bromophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109316
N-[[2-[(4-methylphenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]propan-2-amine
CID 66065230
N-[[2-(3-bromo-4-chlorophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 113337362
N-methyl-1-[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanamine
CID 55178244
N-methyl-1-[2-(4-methylsulfanylphenyl)-1H-imidazol-5-yl]methanamine
CID 106849874
N-[[2-(4-ethylsulfanylphenyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 106849745
N-[[2-(3-methoxyphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 55177864
N-[[2-(furan-2-yl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109298
N-[[2-(3-nitrophenyl)-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109227
[2-(4-propan-2-ylphenyl)-1H-imidazol-5-yl]methanol
CID 63108253

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethylsulfanylphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(4-ethylsulfanylphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine (CID 106849877) is N-[[2-(4-ethylsulfanylphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(4-ethylsulfanylphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(4-ethylsulfanylphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine is CCSc1ccc(-c2ncc(CNC(C)C)[nH]2)cc1.
What is the InChIKey of N-[[2-(4-ethylsulfanylphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
The InChIKey is HFNOXCCVDZRPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-4-19-14-7-5-12(6-8-14)15-17-10-13(18-15)9-16-11(2)3/h5-8,10-11,16H,4,9H2,1-3H3,(H,17,18).
What are the key properties of N-[[2-(4-ethylsulfanylphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine?
N-[[2-(4-ethylsulfanylphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine has a molecular weight of 275.42 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethylsulfanylphenyl)-1H-imidazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 106849877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).